FURALTADONE HYDROCHLORIDE

The CAS register number of 2-Oxazolidinone,5-(morpholinomethyl)-3-[(5-nitrofurfurylidene)amino]-, monohydrochloride, (R)-(8CI) is 2818-22-6. It also can be called as 5-Morpholinomethyl-3-[5-nitrofurfurylideneamino]-2-oxazolidinone hydrochloride and the systematic name about this chemical is 5-(morpholin-4-ylmethyl)-3-{[(5-nitrofuran-2-yl)methylidene]amino}-1,3-oxazolidin-2-one hydrochloride (1:1). The molecular formula about this chemical is C₁₃H₁₇ClN₄O₆ and the molecular weight is 360.75. This chemical is harmful if swallowed and it may cause damage to health.

Physical properties about 2-Oxazolidinone,5-(morpholinomethyl)-3-[(5-nitrofurfurylidene)amino]-, monohydrochloride, (R)-(8CI) are: (1)ACD/LogP: -0.47; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -1.56; (4)ACD/LogD (pH 7.4): -0.53; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.07; (8)ACD/KOC (pH 7.4): 11.51; (9)#H bond acceptors: 10; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 113.33 Å²; (12)Flash Point: 232.8 °C; (13)Enthalpy of Vaporization: 72.22 kJ/mol; (14)Boiling Point: 461.4 °C at 760 mmHg; (15)Vapour Pressure: 1.08E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.[O-][N+](=O)c1oc(cc1)C=NN3C(=O)OC(CN2CCOCC2)C3
(2)InChI: InChI=1/C13H16N4O6.ClH/c18-13-16(14-7-10-1-2-12(22-10)17(19)20)9-11(23-13)8-15-3-5-21-6-4-15;/h1-2,7,11H,3-6,8-9H2;1H
(3)InChIKey: PPSVFZXMDMUIGB-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C13H16N4O6.ClH/c18-13-16(14-7-10-1-2-12(22-10)17(19)20)9-11(23-13)8-15-3-5-21-6-4-15;/h1-2,7,11H,3-6,8-9H2;1H
(5)Std. InChIKey: PPSVFZXMDMUIGB-UHFFFAOYSA-N